(1S,3R)-1-[3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 哈马拉生物碱
• 英文名称: (1S,3R)-1-[3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate
• 化学式: C₃₀H₃₁FN₄O₃
• 分子量: 514.6
• InChiKey: FUHCEERDBRGPQZ-NAKRPHOHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  38
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  80.8
• 氢给体数：
  3
• 氢受体数：
  7

文献信息

• [EN] NOVEL RECEPTOR AND USES THEREOF<br/>[FR] NOUVEAU RÉCEPTEUR ET SES UTILISATIONS
  申请人：ISIS INNOVATION

  公开号：WO2010030840A2

  公开（公告）日：2010-03-18

  The invention provides agents that modulate the effect of a two pore calcium channel (TPC) polypeptide for use in the treatment or prophylaxis of a condition, disease or disorder associated with NAADP receptor-mediated biological activity. The invention also provides methods of identifying agents that modulate the effect of NAADP receptor mediated biological activity, and kits for use in such methods. Methods for the treatment or prophylaxis of a condition, disease or disorder associated with NAADP receptor- mediated biological activity are also provided.